2,3-dihydro-1H-isoindol-5-amine

• ChemBase ID: 274662
• Molecular Formular: C8H10N2
• Molecular Mass: 134.1784
• Monoisotopic Mass: 134.08439833
• SMILES: N1Cc2c(ccc(c2)N)C1
• Canonical SMILES: Nc1ccc2c(c1)CNC2
• InChI: InChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2
• InChIKey: YTIFSHPDDSIFRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-isoindol-5-amine
• IUPAC Traditional name: 2,3-dihydro-1H-isoindol-5-amine
• Synonyms: 2,3-dihydro-1H-isoindol-5-amine

Database IDs

• CAS Number: 45766-35-6
• MDL Number: MFCD09263952
• PubChem SID: 164330572
• PubChem CID: 14795862

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7328897
• LogD (pH = 7.4): -1.6716592
• Log P: 0.453896
• Molar Refractivity: 42.561 cm^3
• Polarizability: 15.957576 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.191

Product Information

• Purity: 95%; 98%